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(Q106345584)
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(1R,6S)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
trans-2,3-dihydro-3-hydroxy-anthranilate isomerase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
155.058243148
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChIKey
(1R,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
(1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
tautomer of
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₇H₉NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC1C(=O)CC=CC1C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H]1C(=O)CC=C[C@H]1C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
AQGCSVBPRRQXIN-XINAWCOVSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
49852389
1 reference
matched by identifier from
InChIKey
InChIKey
AQGCSVBPRRQXIN-XINAWCOVSA-N
49852393
1 reference
matched by identifier from
InChIKey
InChIKey
AQGCSVBPRRQXIN-XINAWCOVSA-N
ChEBI ID
60862
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m1/s1
60857
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m1/s1
SureChEMBL ID
SCHEMBL14648913
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AQGCSVBPRRQXIN-XINAWCOVSA-N
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